⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Iodide SCHEMBL7472187 | 0.78 | — | — | |
| SCHEMBL705666 | 0.77 | ALDH1A1 (0.33) | — | |
| Chloromethane SCHEMBL6905936 | 0.77 | — | — | |
| SCHEMBL6844479 | 0.74 | ALDH1A1 (0.46) | — | |
| Carbon Tetrachloride SCHEMBL7950801 | 0.70 | ALDH1A1 (0.33) | — | |
| Chloromethane SCHEMBL375766 | 0.70 | CYP2C9 (0.35) | — | |
| SCHEMBL1736341 | 0.69 | ALDH1A1 (0.40) | — | |
| SCHEMBL30 | 0.69 | — | — | |
| SCHEMBL124190 | 0.69 | — | — | |
| Tert-Butanol SCHEMBL9504370 | 0.67 | ALDH1A1 (0.35) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5672605-A | ADMINISTERING TO TREAT AUTOIMMUNE DISORDERS, TRANSPLANT REJECTION | ABBOTT LABORATORIES (US) | 1997-09-30 | — | — | US | disclosed |
| US-5583139-A | Marcolide immunomodulators | ABBOTT LABORATORIES (US) | 1996-12-10 | — | — | US | disclosed |
| EP-0729471-A1 | SEMISYNTHETIC ANALOGS OF RAPAMYCIN (MACROLIDES) BEING IMMUNOMODULATORS | Abbott Laboratories (US) | 1996-09-04 | — | — | EP | disclosed |
| US-5527907-A | IMMUNOSUPPRESSANTS | ABBOTT LABORATORIES (US) | 1996-06-18 | — | — | US | disclosed |
| WO-1995014023-A1 | SEMISYNTHETIC ANALOGS OF RAPAMYCIN (MACROLIDES) BEING IMMUNOMODULATORS | ABBOTT LABORATORIES (US) | 1995-05-26 | — | — | WO | disclosed |